2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole

C17H20Cl2N2O2 — CID 70546669

IUPAC2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole
SMILESCC(O[C@H]1CCC[C@H](Cc2ncc[nH]2)O1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O2/c1-11(14-6-5-12(18)9-15(14)19)22-17-4-2-3-13(23-17)10-16-20-7-8-21-16/h5-9,11,13,17H,2-4,10H2,1H3,(H,20,21)/t11?,13-,17-/m1/s1
InChIKeyYUYCUMPRYMWMBI-STQVRIHGSA-N
MW355.27 g/mol
LogP4.93
Rot. Bonds5

About 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole

2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole (PubChem CID 70546669) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole
PubChem CID70546669
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole
SMILESCC(O[C@H]1CCC[C@H](Cc2ncc[nH]2)O1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O2/c1-11(14-6-5-12(18)9-15(14)19)22-17-4-2-3-13(23-17)10-16-20-7-8-21-16/h5-9,11,13,17H,2-4,10H2,1H3,(H,20,21)/t11?,13-,17-/m1/s1
InChIKeyYUYCUMPRYMWMBI-STQVRIHGSA-N
XLogP4.93
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-1-(4-chlorophenyl)ethoxy]-6-[(2,4-dichlorophenoxy)methyl]oxane
CID 13071294
5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one
CID 20523140
1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole
CID 54143206
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)-1-fluoropropan-2-amine
CID 163651750
O-ethyl 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)butanethioate
CID 88692644
1-[6-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]-2-(4-chlorophenyl)ethanol
CID 70546614
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
2-[2-(4-chlorophenyl)-2-cyclopropylethyl]-1H-imidazole
CID 54212850
2-[2-bromo-2-(4-bromo-2-chlorophenyl)ethyl]-1H-imidazole
CID 61095782
[2-(2,4-dichlorophenyl)-2-(1H-imidazol-2-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 88665031

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole?
The IUPAC name of 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole (CID 70546669) is 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole is CC(O[C@H]1CCC[C@H](Cc2ncc[nH]2)O1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole?
The InChIKey is YUYCUMPRYMWMBI-STQVRIHGSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-11(14-6-5-12(18)9-15(14)19)22-17-4-2-3-13(23-17)10-16-20-7-8-21-16/h5-9,11,13,17H,2-4,10H2,1H3,(H,20,21)/t11?,13-,17-/m1/s1.
What are the key properties of 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole?
2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole has a molecular weight of 355.27 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,6S)-6-[1-(2,4-dichlorophenyl)ethoxy]oxan-2-yl]methyl]-1H-imidazole is sourced from PubChem (CID 70546669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).